UCSF

ZINC37141079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.67 3.3 -44.96 2 4 1 51 273.422 3
Lo Low (pH 4.5-6) 0.67 4.31 -127.29 3 4 2 55 274.43 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )